Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
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1 | //
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2 | // unittest.cc
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3 | //
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4 |
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5 | #include <util/misc/units.h>
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6 | #include <util/misc/formio.h>
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7 |
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8 | #include <util/state/state.h>
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9 | #include <util/state/stateout.h>
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10 | static void (sc::SavableState::*force_state_link)(sc::StateOut&)
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11 | = &sc::SavableState::save_state;
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12 | #include <util/state/linkage.h>
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13 |
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14 | using namespace std;
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15 | using namespace sc;
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16 |
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17 | //////////////////////////////////////////////////////////////////////
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18 | // Unit conversion test program
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19 |
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20 | int main(int argc, char **argv) {
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21 | const char *unitstr = "kcal/mol";
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22 |
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23 | if (argc == 2) {
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24 | unitstr = argv[1];
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25 | }
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26 | else if (argc != 1) {
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27 | cerr << "One argument, the unit to be converted, must be given" << endl;
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28 | abort();
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29 | }
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30 |
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31 | Ref<Units> unit = new Units(unitstr);
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32 | cout << indent << "Conversion between " << unit->string_rep() << " and atomic units:" << endl;
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33 | cout << setprecision(10);
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34 | cout << indent << "From atomic units: " << unit->from_atomic_units() << endl;
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35 | cout << indent << "To atomic units: " << unit->to_atomic_units() << endl;
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36 |
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37 | return 0;
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38 |
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39 | }
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40 |
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41 |
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42 | // Local Variables:
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43 | // mode: c++
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44 | // c-file-style: "CLJ"
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45 | // End:
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